Identifier: MM158705
2D Structure
3D Structure
Source:
General | |
Identifier | MM158705 |
SMILES |
CC=CC(=O)C#CC=O
|
InChIKey |
WWELUTXALTYQKV-UHFFFAOYSA-N
|
MW [Da] |
122.12
Automatically obtained from RDkit software. |
LogP |
0.33
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM359779
Similarity: 0.8916
Similarity to MM359779
Tanimoto metric | 0.8916 |
---|---|
Cosine metric | 0.9442 |
Dice metric | 0.9427 |
MW: | 136.11 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | -0.49 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM359808
Similarity: 0.8506
Similarity to MM359808
Tanimoto metric | 0.8506 |
---|---|
Cosine metric | 0.9223 |
Dice metric | 0.9193 |
MW: | 132.12 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | -0.05 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM253010
Similarity: 0.8409
Similarity to MM253010
Tanimoto metric | 0.8409 |
---|---|
Cosine metric | 0.917 |
Dice metric | 0.9136 |
MW: | 136.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.72 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+339 more